(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate

C23H21ClN2O3 — CID 159296475

IUPAC(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4)oc3C)ccc21
InChIInChI=1S/C23H21ClN2O3/c1-3-26-14-25-20-10-16(4-9-21(20)26)13-28-23(27)12-18-11-22(29-15(18)2)17-5-7-19(24)8-6-17/h4-11,14H,3,12-13H2,1-2H3
InChIKeyLAUBESYITPZRLR-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.56
Rot. Bonds6

About (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate

(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate (PubChem CID 159296475) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
PubChem CID159296475
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4)oc3C)ccc21
InChIInChI=1S/C23H21ClN2O3/c1-3-26-14-25-20-10-16(4-9-21(20)26)13-28-23(27)12-18-11-22(29-15(18)2)17-5-7-19(24)8-6-17/h4-11,14H,3,12-13H2,1-2H3
InChIKeyLAUBESYITPZRLR-UHFFFAOYSA-N
XLogP5.56
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
CID 158602904
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
CID 161011785
(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
CID 158455948
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methyl formate
CID 174791269
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
CID 7245332
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
ethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 165346345
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
CID 158918243

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate (CID 159296475) is (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate is CCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4)oc3C)ccc21.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate?
The InChIKey is LAUBESYITPZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-3-26-14-25-20-10-16(4-9-21(20)26)13-28-23(27)12-18-11-22(29-15(18)2)17-5-7-19(24)8-6-17/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate?
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate has a molecular weight of 408.89 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate is sourced from PubChem (CID 159296475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).